N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide

C23H33N3O — CID 55964578

IUPACN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCCC1C(=O)NCc1ccccc1CN1CCCC(C)C1
InChIInChI=1S/C23H33N3O/c1-3-13-26-15-7-6-12-22(26)23(27)24-16-20-10-4-5-11-21(20)18-25-14-8-9-19(2)17-25/h1,4-5,10-11,19,22H,6-9,12-18H2,2H3,(H,24,27)
InChIKeyHJLUJBDWWMOLBG-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.02
Rot. Bonds6

About N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 55964578) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide
PubChem CID55964578
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCCC1C(=O)NCc1ccccc1CN1CCCC(C)C1
InChIInChI=1S/C23H33N3O/c1-3-13-26-15-7-6-12-22(26)23(27)24-16-20-10-4-5-11-21(20)18-25-14-8-9-19(2)17-25/h1,4-5,10-11,19,22H,6-9,12-18H2,2H3,(H,24,27)
InChIKeyHJLUJBDWWMOLBG-UHFFFAOYSA-N
XLogP3.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55714231
(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124695969
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55713803
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55725408
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
tert-butyl N-[3-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]carbamate
CID 51948460
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide (CID 55964578) is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide is C#CCN1CCCCC1C(=O)NCc1ccccc1CN1CCCC(C)C1.
What is the InChIKey of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is HJLUJBDWWMOLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-3-13-26-15-7-6-12-22(26)23(27)24-16-20-10-4-5-11-21(20)18-25-14-8-9-19(2)17-25/h1,4-5,10-11,19,22H,6-9,12-18H2,2H3,(H,24,27).
What are the key properties of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide?
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 55964578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).